2-bromo-4-chloro-3-fluorobenzamide

C7H4BrClFNO — CID 89499969

IUPAC2-bromo-4-chloro-3-fluorobenzamide
SMILESNC(=O)c1ccc(Cl)c(F)c1Br
InChIInChI=1S/C7H4BrClFNO/c8-5-3(7(11)12)1-2-4(9)6(5)10/h1-2H,(H2,11,12)
InChIKeyIIXYZMJRCIPQDN-UHFFFAOYSA-N
MW252.47 g/mol
LogP2.34
Rot. Bonds1

About 2-bromo-4-chloro-3-fluorobenzamide

2-bromo-4-chloro-3-fluorobenzamide (PubChem CID 89499969) has the molecular formula C7H4BrClFNO and a molecular weight of 252.47 g/mol. Its IUPAC name is 2-bromo-4-chloro-3-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-3-fluorobenzamide
PubChem CID89499969
Molecular FormulaC7H4BrClFNO
Molecular Weight252.47 g/mol
Exact Mass250.91
IUPAC Name2-bromo-4-chloro-3-fluorobenzamide
SMILESNC(=O)c1ccc(Cl)c(F)c1Br
InChIInChI=1S/C7H4BrClFNO/c8-5-3(7(11)12)1-2-4(9)6(5)10/h1-2H,(H2,11,12)
InChIKeyIIXYZMJRCIPQDN-UHFFFAOYSA-N
XLogP2.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-fluoro-3-methylbenzamide
CID 83385455
2-bromo-6-chloro-3-fluorobenzamide
CID 131617846
2,4-dibromo-3,5-difluorobenzamide
CID 119007128
4-(2-bromo-4-chloro-3-fluorophenyl)butanoic acid
CID 117476279
3-fluoro-2,4-dimethylbenzamide
CID 119006165
6-bromo-3-chloro-2-fluorobenzenecarbothioamide
CID 83409721
2-amino-4-chloro-3-fluorobenzoic acid
CID 28974171
2-amino-3-bromo-4-fluorobenzamide
CID 139748040
3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 106544218
2-amino-3-(2-bromo-4-chloro-3-fluorophenyl)propanoic acid
CID 117477835
5-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 134623243
2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid
CID 117455834

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-3-fluorobenzamide?
The IUPAC name of 2-bromo-4-chloro-3-fluorobenzamide (CID 89499969) is 2-bromo-4-chloro-3-fluorobenzamide.
What is the SMILES notation for 2-bromo-4-chloro-3-fluorobenzamide?
The canonical SMILES for 2-bromo-4-chloro-3-fluorobenzamide is NC(=O)c1ccc(Cl)c(F)c1Br.
What is the InChIKey of 2-bromo-4-chloro-3-fluorobenzamide?
The InChIKey is IIXYZMJRCIPQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClFNO/c8-5-3(7(11)12)1-2-4(9)6(5)10/h1-2H,(H2,11,12).
What are the key properties of 2-bromo-4-chloro-3-fluorobenzamide?
2-bromo-4-chloro-3-fluorobenzamide has a molecular weight of 252.47 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-3-fluorobenzamide is sourced from PubChem (CID 89499969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).